CID 1473137

156459-19-7

Structural Information

Molecular Formula
C9H10N2O3
SMILES
COC(C1=CC=C(C(=O)N1)C#N)OC
InChI
InChI=1S/C9H10N2O3/c1-13-9(14-2)7-4-3-6(5-10)8(12)11-7/h3-4,9H,1-2H3,(H,11,12)
InChIKey
XUBFOTULRCXHJD-UHFFFAOYSA-N
Compound name
6-(dimethoxymethyl)-2-oxo-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

13
Patents

194.06914 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 138.6
[M+Na]+ 217.05836 148.7
[M-H]- 193.06186 139.5
[M+NH4]+ 212.10296 154.3
[M+K]+ 233.03230 146.8
[M+H-H2O]+ 177.06640 125.6
[M+HCOO]- 239.06734 156.7
[M+CH3COO]- 253.08299 193.3
[M+Na-2H]- 215.04381 143.3
[M]+ 194.06859 135.3
[M]- 194.06969 135.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe